(1R,9aR)-octahydro-1H-quinolizin-1-ylmethanol hydrochloride

• ChemBase ID: 118992
• Molecular Formular: C10H20ClNO
• Molecular Mass: 205.7249
• Monoisotopic Mass: 205.12334195
• SMILES: N12[C@@H]([C@H](CO)CCC1)CCCC2.Cl
• Canonical SMILES: OC[C@@H]1CCCN2[C@@H]1CCCC2.Cl
• InChI: InChI=1S/C10H19NO.ClH/c12-8-9-4-3-7-11-6-2-1-5-10(9)11;/h9-10,12H,1-8H2;1H/t9-,10+;/m0./s1
• InChIKey: ZKXVUMSVQBQBCR-BAUSSPIASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,9aR)-octahydro-1H-quinolizin-1-ylmethanol hydrochloride
• IUPAC Traditional name: (-)-lupinine hydrochloride
• Synonyms: ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methanol hydrochloride

Database IDs

• PubChem SID: 162107230
• PubChem CID: 24721130

CALCULATED PROPERTIES

• Acid pKa: 15.422514
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.526804
• LogD (pH = 7.4): -1.5202918
• Log P: 0.9205197
• Molar Refractivity: 50.2438 cm^3
• Polarizability: 19.837076 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Genuine Natural Compounds